SCHEMBL2019895

SCHEMBL2019895

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 2/20 0.38
PPARG P37231 1/20 0.37
CTSA P10619 2/20 0.37
TP53 P04637 3/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TBXA2R P21731 1/20 0.36
PIK3CD O00329 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL2019374 0.99 HTT (0.43) HTTHDAC6MEN1KMT2AHDAC1
SCHEMBL2016153 0.92 HTT (0.44) HTTHDAC6MEN1KMT2APPARG
Iodide SCHEMBL2019625 0.91 HTT (0.43) HTTHDAC6MEN1KMT2APPARG
SCHEMBL2052795 0.88 HTT (0.44) HTTHDAC6MEN1KMT2AHDAC1
SCHEMBL2019532 0.87 HDAC6 (0.49) HTTHDAC6MEN1KMT2APPARG
SCHEMBL2015349 0.86 HTT (0.57) HTTMEN1KMT2ATP53LMNA
SCHEMBL2018490 0.86 KDM4E (0.53) HTTHDAC6MEN1KMT2ATSHR
SCHEMBL2016173 0.86 HTT (0.42) HTTHDAC6PPARGLMNACYP1A2
SCHEMBL2014471 0.84 MAPT (0.52) HTTHDAC6MEN1KMT2ATSHR
SCHEMBL2040435 0.84 HTT (0.45) HTTMEN1KMT2ACTSATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed